#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aj3 s GLN 3 N 0.00 0.35 0.39 7.34 -0.21 0.19 -5.00 119.66 122.72 2aj3 s GLN 3 Ca 0.00 1.02 0.07 0.00 0.02 0.00 0.00 55.36 56.48 2aj3 s GLN 3 Cb 0.00 0.30 -0.00 0.00 1.00 0.00 0.00 33.01 34.31 2aj3 s GLN 3 CO 0.00 -0.23 0.49 -0.51 -2.12 0.00 0.00 175.29 172.92 2aj3 s LEU 4 N 2.41 3.71 -0.33 2.90 2.01 -1.26 -1.14 118.68 126.98 2aj3 s LEU 4 Ca -0.03 -0.40 0.00 0.00 0.01 0.00 0.00 54.13 53.71 2aj3 s LEU 4 Cb -0.11 -2.56 0.19 0.00 0.01 0.00 0.00 46.19 43.71 2aj3 s LEU 4 CO -0.13 -0.61 0.78 -0.22 1.01 0.00 0.00 176.35 177.17 2aj3 s LEU 5 N -4.23 -1.13 0.66 1.79 2.96 -1.08 -4.78 118.68 112.87 2aj3 s LEU 5 Ca 0.50 -0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 54.07 2aj3 s LEU 5 Cb -0.09 1.58 -0.00 0.00 0.50 0.00 0.00 46.19 48.18 2aj3 s LEU 5 CO 0.31 -0.17 1.12 -1.83 -1.32 0.00 0.00 176.35 174.46 2aj3 s GLU 6 N 2.42 2.79 -0.22 1.98 1.03 -1.26 -2.21 118.70 123.22 2aj3 s GLU 6 Ca 0.16 1.42 -0.12 0.00 0.03 0.00 0.00 54.97 56.47 2aj3 s GLU 6 Cb -0.04 -1.95 0.07 0.00 -0.80 0.00 0.00 34.13 31.41 2aj3 s GLU 6 CO -0.18 -1.26 0.53 0.45 -1.33 0.00 0.00 175.26 173.47 2aj3 s SER 7 N -2.51 -0.69 0.06 0.83 0.15 0.13 -4.83 113.70 106.85 2aj3 s SER 7 Ca 0.68 1.16 -0.04 0.00 0.70 0.00 0.00 55.95 58.45 2aj3 s SER 7 Cb -0.21 1.10 0.01 0.00 -1.71 0.00 0.00 66.02 65.21 2aj3 s SER 7 CO 0.41 -0.21 0.19 0.61 1.20 0.00 0.00 173.24 175.43 2aj3 n GLY 8 N 4.40 1.48 3.82 9.45 0.00 -1.26 -1.76 105.19 121.31 2aj3 n GLY 8 Ca -0.21 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 2aj3 n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2aj3 s PRO 9 N -2.01 3.67 0.06 1.61 0.04 -1.26 -4.96 135.00 132.15 2aj3 s PRO 9 Ca 0.04 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.24 2aj3 s PRO 9 Cb -0.01 -2.09 -0.25 0.00 0.04 0.00 0.00 34.50 32.19 2aj3 s PRO 9 CO 0.02 -0.52 1.08 0.78 0.04 0.00 0.00 177.00 178.40 2aj3 h GLY 10 N 0.88 0.17 -4.36 0.56 0.00 -1.95 -3.44 103.07 94.93 2aj3 h GLY 10 Ca -0.47 -0.43 -0.53 0.00 0.00 0.00 0.00 47.33 45.90 2aj3 h GLY 10 CO 0.59 0.38 -0.82 0.14 0.00 0.00 0.00 176.54 176.83 2aj3 s VAL 11 N -2.66 1.56 -0.07 4.60 1.01 -1.26 -0.87 120.40 122.71 2aj3 s VAL 11 Ca -0.03 -1.36 -0.03 0.00 0.00 0.00 0.00 61.98 60.55 2aj3 s VAL 11 Cb 0.08 -1.41 0.04 0.00 0.00 0.00 0.00 36.38 35.10 2aj3 s VAL 11 CO 0.85 -0.01 0.14 -0.69 0.00 0.00 0.00 175.10 175.39 2aj3 s VAL 12 N -1.05 -0.12 0.52 2.92 1.01 -0.04 -4.91 120.40 118.73 2aj3 s VAL 12 Ca 0.05 0.25 -0.19 0.00 0.00 0.00 0.00 61.98 62.09 2aj3 s VAL 12 Cb -0.09 -0.24 -0.07 0.00 0.00 0.00 0.00 36.38 35.98 2aj3 s VAL 12 CO 0.03 0.10 1.08 -0.54 0.00 0.00 0.00 175.10 175.77 2aj3 s LYS 13 N 1.58 3.55 0.75 2.72 1.02 -1.25 -1.89 119.74 126.22 2aj3 s LYS 13 Ca -0.05 1.44 -0.15 0.00 0.02 0.00 0.00 55.97 57.23 2aj3 s LYS 13 Cb -0.12 -2.05 0.03 0.00 -0.52 0.00 0.00 37.83 35.17 2aj3 s LYS 13 CO -0.06 -0.65 1.10 -2.30 -0.92 0.00 0.00 175.35 172.53 2aj3 n PRO 14 N -1.26 0.47 0.00 -1.68 -0.02 -1.26 -2.28 135.00 128.97 2aj3 n PRO 14 Ca 0.10 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2aj3 n PRO 14 Cb 0.52 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2aj3 n PRO 14 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2aj3 n SER 15 N -2.33 0.00 -3.53 2.55 7.64 0.37 -4.84 113.62 113.48 2aj3 n SER 15 Ca 0.14 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.73 2aj3 n SER 15 Cb 0.50 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 63.97 2aj3 n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2aj3 n GLU 16 N 0.00 -4.12 -4.42 1.43 1.02 -0.97 -2.42 120.64 111.16 2aj3 n GLU 16 Ca 0.00 -1.21 -0.33 0.00 -0.02 0.00 0.00 57.16 55.59 2aj3 n GLU 16 Cb 0.00 -1.91 -0.15 0.00 -0.02 0.00 0.00 31.44 29.36 2aj3 n GLU 16 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2aj3 s THR 17 N -2.16 2.54 0.25 2.62 -1.32 -1.26 -1.66 115.64 114.64 2aj3 s THR 17 Ca 0.64 -0.80 -0.30 0.00 -1.21 0.00 0.00 61.69 60.02 2aj3 s THR 17 Cb -0.14 -2.07 -0.09 0.00 -1.51 0.00 0.00 72.50 68.69 2aj3 s THR 17 CO 0.56 0.52 1.07 -0.22 -2.21 0.00 0.00 174.62 174.34 2aj3 s LEU 18 N 0.96 4.55 -0.10 9.08 2.96 0.15 -4.84 118.68 131.43 2aj3 s LEU 18 Ca -0.03 2.17 -0.01 0.00 -0.22 0.00 0.00 54.13 56.04 2aj3 s LEU 18 Cb -0.15 -3.62 0.03 0.00 0.50 0.00 0.00 46.19 42.95 2aj3 s LEU 18 CO -0.03 -0.11 -0.03 -0.44 -1.32 0.00 0.00 176.35 174.42 2aj3 s SER 19 N -0.72 2.01 0.20 3.68 0.01 -1.26 -1.03 113.70 116.58 2aj3 s SER 19 Ca 0.45 -0.27 0.10 0.00 1.31 0.00 0.00 55.95 57.55 2aj3 s SER 19 Cb -0.30 -0.64 -0.04 0.00 0.21 0.00 0.00 66.02 65.24 2aj3 s SER 19 CO 0.38 -0.17 -0.20 -0.76 0.41 0.00 0.00 173.24 172.90 2aj3 s LEU 20 N 1.84 2.48 -0.10 2.44 1.43 -0.37 -4.23 118.68 122.16 2aj3 s LEU 20 Ca 0.04 -0.91 -0.08 0.00 -1.03 0.00 0.00 54.13 52.16 2aj3 s LEU 20 Cb -0.13 -0.97 0.03 0.00 0.03 0.00 0.00 46.19 45.16 2aj3 s LEU 20 CO -0.07 0.01 0.26 -0.89 0.23 0.00 0.00 176.35 175.90 2aj3 s THR 21 N -2.10 -0.02 -0.18 5.49 2.01 -0.72 -1.20 115.64 118.91 2aj3 s THR 21 Ca 0.20 0.06 -0.02 0.00 0.31 0.00 0.00 61.69 62.24 2aj3 s THR 21 Cb -0.06 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 2aj3 s THR 21 CO 0.09 0.02 -0.08 0.00 -0.69 0.00 0.00 174.62 173.96 2aj3 s THR 23 N 1.00 5.27 -0.01 0.00 -4.23 -0.94 -2.13 115.64 114.61 2aj3 s THR 23 Ca -0.00 0.31 -0.17 0.00 -1.18 0.00 0.00 61.69 60.65 2aj3 s THR 23 Cb -0.15 -3.58 -0.06 0.00 1.34 0.00 0.00 72.50 70.05 2aj3 s THR 23 CO -0.01 0.23 0.46 -0.69 -0.54 0.00 0.00 174.62 174.07 2aj3 s VAL 24 N 1.81 4.99 -0.02 2.29 1.01 -1.00 -2.62 120.40 126.87 2aj3 s VAL 24 Ca 0.10 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.04 2aj3 s VAL 24 Cb -0.16 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.47 2aj3 s VAL 24 CO 0.10 0.52 0.00 -0.44 0.00 0.00 0.00 175.10 175.29 2aj3 s SER 25 N -0.75 0.33 0.00 3.32 0.01 -0.29 -4.80 113.70 111.52 2aj3 s SER 25 Ca 0.25 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.50 2aj3 s SER 25 Cb -0.17 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.90 2aj3 s SER 25 CO 0.14 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2aj3 n GLY 26 N 3.92 0.90 0.00 3.44 0.00 -1.26 -0.11 105.19 112.07 2aj3 n GLY 26 Ca -0.24 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2aj3 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj3 n ALA 27 N -1.44 0.00 -2.57 4.61 0.00 -1.26 -2.96 120.51 116.89 2aj3 n ALA 27 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2aj3 n ALA 27 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2aj3 n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2aj3 s SER 28 N 0.00 6.00 0.36 0.00 0.01 -1.26 -4.89 113.70 113.91 2aj3 s SER 28 Ca 0.00 -0.46 0.17 0.00 1.31 0.00 0.00 55.95 56.97 2aj3 s SER 28 Cb 0.00 -2.12 1.22 0.00 0.21 0.00 0.00 66.02 65.33 2aj3 s SER 28 CO 0.00 -0.24 1.58 -0.37 0.41 0.00 0.00 173.24 174.62 2aj3 h VAL 29 N 5.52 0.01 -0.06 3.43 -1.51 -1.93 0.39 116.25 122.10 2aj3 h VAL 29 Ca -0.31 -0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.17 2aj3 h VAL 29 Cb 1.15 -0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 30.31 2aj3 h VAL 29 CO 0.63 0.00 0.05 -1.13 -1.23 0.00 0.00 177.57 175.89 2aj3 h ASN 30 N 0.01 0.00 -0.20 4.19 -1.24 -1.96 -2.20 115.58 114.18 2aj3 h ASN 30 Ca 0.80 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.81 2aj3 h ASN 30 Cb 2.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.07 2aj3 h ASN 30 CO -0.80 0.00 0.00 0.59 -1.29 0.00 0.00 177.43 175.93 2aj3 n ASN 31 N -4.36 2.27 -3.07 1.15 3.02 0.14 -4.70 115.26 109.71 2aj3 n ASN 31 Ca -0.02 -2.24 -0.11 0.00 -0.03 0.00 0.00 54.58 52.19 2aj3 n ASN 31 Cb 0.15 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 2aj3 n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2aj3 s TYR 32 N -1.59 0.40 0.19 3.10 2.02 -0.83 -5.02 117.35 115.63 2aj3 s TYR 32 Ca 0.17 -0.93 0.10 0.00 -0.37 0.00 0.00 57.07 56.04 2aj3 s TYR 32 Cb 0.12 0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 42.19 2aj3 s TYR 32 CO 0.06 -1.42 -0.15 0.71 -1.57 0.00 0.00 175.55 173.18 2aj3 s TYR 33 N -2.61 2.50 0.27 2.71 2.02 -1.26 -4.45 117.35 116.54 2aj3 s TYR 33 Ca 0.20 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 2aj3 s TYR 33 Cb -0.04 -1.23 -0.04 0.00 -0.40 0.00 0.00 41.96 40.25 2aj3 s TYR 33 CO 0.14 0.51 0.13 -1.58 -1.57 0.00 0.00 175.55 173.18 2aj3 s TRP 34 N -1.71 1.53 0.15 2.71 0.52 -0.61 -1.79 118.94 119.74 2aj3 s TRP 34 Ca 0.23 -1.28 -0.15 0.00 0.02 0.00 0.00 56.10 54.93 2aj3 s TRP 34 Cb -0.08 -0.85 0.02 0.00 -1.15 0.00 0.00 33.47 31.41 2aj3 s TRP 34 CO 0.13 -0.45 0.40 -0.08 0.02 0.00 0.00 176.95 176.98 2aj3 s THR 35 N -3.73 0.06 -0.04 2.01 -1.32 -0.27 -1.20 115.64 111.15 2aj3 s THR 35 Ca 0.37 -0.85 0.05 0.00 -1.21 0.00 0.00 61.69 60.05 2aj3 s THR 35 Cb 0.06 -1.46 -0.01 0.00 -1.51 0.00 0.00 72.50 69.59 2aj3 s THR 35 CO 0.15 -0.27 -0.21 0.26 -2.21 0.00 0.00 174.62 172.34 2aj3 s TRP 36 N -3.86 2.05 -0.03 9.09 0.52 -0.78 -1.41 118.94 124.51 2aj3 s TRP 36 Ca 0.08 -0.56 0.01 0.00 0.02 0.00 0.00 56.10 55.65 2aj3 s TRP 36 Cb 0.01 -1.35 0.01 0.00 -1.15 0.00 0.00 33.47 30.99 2aj3 s TRP 36 CO -0.06 -0.16 -0.05 0.08 0.02 0.00 0.00 176.95 176.77 2aj3 s VAL 37 N -0.14 0.53 0.22 4.03 1.01 0.81 -0.21 120.40 126.64 2aj3 s VAL 37 Ca -0.02 -0.19 0.10 0.00 0.00 0.00 0.00 61.98 61.88 2aj3 s VAL 37 Cb -0.12 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 2aj3 s VAL 37 CO 0.02 0.19 -0.11 0.00 0.00 0.00 0.00 175.10 175.20 2aj3 s ARG 38 N 0.47 1.97 -0.32 2.72 1.70 -0.45 0.10 118.95 125.15 2aj3 s ARG 38 Ca -0.06 -1.42 -0.02 0.00 -0.47 0.00 0.00 55.73 53.76 2aj3 s ARG 38 Cb -0.10 -2.05 0.11 0.00 -0.57 0.00 0.00 34.95 32.34 2aj3 s ARG 38 CO 0.00 0.40 0.15 -1.14 -1.08 0.00 0.00 175.30 173.62 2aj3 s GLN 39 N -3.11 0.52 0.34 3.89 0.74 -0.46 -0.65 119.66 120.94 2aj3 s GLN 39 Ca 0.27 -0.99 -0.28 0.00 0.05 0.00 0.00 55.36 54.40 2aj3 s GLN 39 Cb -0.07 -1.55 -0.12 0.00 1.10 0.00 0.00 33.01 32.36 2aj3 s GLN 39 CO 0.15 -1.06 1.39 -2.30 -0.55 0.00 0.00 175.29 172.93 2aj3 n PRO 40 N 4.73 2.36 -1.61 1.67 -0.02 -1.25 -2.32 135.00 138.55 2aj3 n PRO 40 Ca 0.00 0.83 -0.48 0.00 -2.02 0.00 0.00 63.50 61.83 2aj3 n PRO 40 Cb 0.40 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.36 2aj3 n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2aj3 n PRO 41 N 0.76 1.48 -1.23 0.52 -0.04 -1.26 -0.99 135.00 134.25 2aj3 n PRO 41 Ca 0.04 0.53 -0.08 0.00 -0.04 0.00 0.00 63.50 63.95 2aj3 n PRO 41 Cb 0.37 -2.11 -0.03 0.00 -0.04 0.00 0.00 33.50 31.68 2aj3 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2aj3 n GLY 42 N 2.22 0.96 2.99 0.55 0.00 -1.26 -4.99 105.19 105.66 2aj3 n GLY 42 Ca 0.15 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 2aj3 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aj3 n LYS 43 N -2.24 0.41 0.00 1.61 5.02 -0.16 -5.18 118.16 117.62 2aj3 n LYS 43 Ca -0.08 -3.10 0.00 0.00 -2.02 0.00 0.00 58.31 53.11 2aj3 n LYS 43 Cb 0.33 2.44 0.00 0.00 -0.02 0.00 0.00 35.03 37.78 2aj3 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aj3 n GLY 44 N -0.59 -0.91 3.57 0.72 0.00 -1.26 -4.59 105.19 102.13 2aj3 n GLY 44 Ca 0.06 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 2aj3 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aj3 s LEU 45 N 0.00 3.11 -0.10 0.99 1.43 -1.26 -3.88 118.68 118.97 2aj3 s LEU 45 Ca 0.00 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 2aj3 s LEU 45 Cb 0.00 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.52 2aj3 s LEU 45 CO 0.00 0.33 -0.08 -0.70 0.23 0.00 0.00 176.35 176.12 2aj3 s GLU 46 N -1.05 1.52 0.08 1.70 2.12 0.18 -4.99 118.70 118.27 2aj3 s GLU 46 Ca 0.14 -0.28 -0.31 0.00 0.36 0.00 0.00 54.97 54.89 2aj3 s GLU 46 Cb -0.11 -1.51 -0.06 0.00 0.26 0.00 0.00 34.13 32.71 2aj3 s GLU 46 CO 0.04 -0.20 1.27 -0.46 -0.54 0.00 0.00 175.26 175.37 2aj3 s TRP 47 N 1.46 3.35 -0.20 5.30 -0.00 -1.26 -1.34 118.94 126.25 2aj3 s TRP 47 Ca 0.00 1.16 -0.16 0.00 -0.00 0.00 0.00 56.10 57.11 2aj3 s TRP 47 Cb -0.13 -3.52 -0.11 0.00 -0.00 0.00 0.00 33.47 29.71 2aj3 s TRP 47 CO -0.05 -1.70 -0.11 -0.89 -0.00 0.00 0.00 176.95 174.20 2aj3 n ILE 48 N 3.97 1.49 0.00 5.86 5.41 0.70 -4.66 119.36 132.13 2aj3 n ILE 48 Ca 0.10 0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.86 2aj3 n ILE 48 Cb 0.45 -2.17 0.00 0.00 -0.71 0.00 0.00 39.64 37.21 2aj3 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2aj3 n GLY 49 N 1.46 -0.29 3.59 7.39 0.00 -1.21 -1.81 105.19 114.32 2aj3 n GLY 49 Ca -0.26 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 2aj3 n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aj3 s ASN 50 N 0.00 4.24 -0.08 1.61 0.01 -0.74 -1.87 114.94 118.12 2aj3 s ASN 50 Ca 0.00 -0.74 -0.00 0.00 -0.71 0.00 0.00 52.86 51.41 2aj3 s ASN 50 Cb 0.00 -0.68 0.02 0.00 0.41 0.00 0.00 41.25 41.00 2aj3 s ASN 50 CO 0.00 0.02 -0.05 0.54 -1.51 0.00 0.00 177.10 176.11 2aj3 s VAL 51 N -2.29 0.69 0.41 1.60 0.11 -0.34 -4.64 120.40 115.95 2aj3 s VAL 51 Ca 0.30 -0.12 0.07 0.00 -2.93 0.00 0.00 61.98 59.30 2aj3 s VAL 51 Cb -0.06 -0.75 -0.06 0.00 -1.53 0.00 0.00 36.38 33.97 2aj3 s VAL 51 CO 0.18 0.30 0.11 -0.31 -3.33 0.00 0.00 175.10 172.04 2aj3 s TYR 52 N 1.51 2.55 -0.15 1.54 2.02 -1.26 -1.58 117.35 121.97 2aj3 s TYR 52 Ca -0.01 -0.63 0.29 0.00 -0.37 0.00 0.00 57.07 56.35 2aj3 s TYR 52 Cb -0.13 -1.88 1.23 0.00 -0.40 0.00 0.00 41.96 40.78 2aj3 s TYR 52 CO -0.04 0.29 1.87 0.38 -1.57 0.00 0.00 175.55 176.48 2aj3 h ASP 53 N 1.57 0.00 0.00 2.29 2.03 -1.84 -3.45 116.42 117.02 2aj3 h ASP 53 Ca -0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 2aj3 h ASP 53 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2aj3 h ASP 53 CO 0.75 0.00 0.00 -0.24 -1.03 0.00 0.00 179.24 178.72 2aj3 n SER 54 N -2.68 0.00 0.00 4.15 2.88 -1.26 -5.11 113.62 111.60 2aj3 n SER 54 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2aj3 n SER 54 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 2aj3 n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2aj3 n GLY 55 N -0.82 0.36 1.79 0.46 0.00 -1.26 -5.12 105.19 100.60 2aj3 n GLY 55 Ca 0.00 -1.29 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 2aj3 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2aj3 n ASP 56 N 0.00 -1.74 -3.88 1.61 9.92 -1.26 -5.03 116.55 116.17 2aj3 n ASP 56 Ca 0.00 -0.80 -0.30 0.00 -0.53 0.00 0.00 54.79 53.16 2aj3 n ASP 56 Cb 0.00 -0.52 -0.15 0.00 -0.64 0.00 0.00 41.12 39.82 2aj3 n ASP 56 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2aj3 s THR 57 N -1.97 1.78 -0.61 -3.53 2.01 -1.26 -4.89 115.64 107.16 2aj3 s THR 57 Ca 0.36 -2.22 -0.14 0.00 0.31 0.00 0.00 61.69 60.01 2aj3 s THR 57 Cb -0.04 -2.30 0.15 0.00 0.01 0.00 0.00 72.50 70.33 2aj3 s THR 57 CO 0.28 -0.69 0.55 0.20 -0.69 0.00 0.00 174.62 174.27 2aj3 s ASN 58 N 0.88 6.22 0.31 3.53 0.01 -1.26 -5.04 114.94 119.59 2aj3 s ASN 58 Ca 0.12 -2.11 0.11 0.00 -0.71 0.00 0.00 52.86 50.27 2aj3 s ASN 58 Cb -0.20 -2.16 -0.05 0.00 0.41 0.00 0.00 41.25 39.24 2aj3 s ASN 58 CO -0.11 -0.73 -0.12 -0.31 -1.51 0.00 0.00 177.10 174.32 2aj3 s TYR 59 N 1.08 2.40 -0.04 2.20 2.02 -1.26 -1.80 117.35 121.95 2aj3 s TYR 59 Ca 0.08 -0.39 -0.28 0.00 -0.37 0.00 0.00 57.07 56.11 2aj3 s TYR 59 Cb -0.23 -1.21 -0.03 0.00 -0.40 0.00 0.00 41.96 40.09 2aj3 s TYR 59 CO -0.01 0.63 0.92 1.21 -1.57 0.00 0.00 175.55 176.73 2aj3 s ASN 60 N -3.59 7.25 0.38 2.29 3.84 -0.75 -4.88 114.94 119.48 2aj3 s ASN 60 Ca 0.32 1.51 0.19 0.00 0.21 0.00 0.00 52.86 55.09 2aj3 s ASN 60 Cb -0.02 -2.53 1.16 0.00 -0.55 0.00 0.00 41.25 39.31 2aj3 s ASN 60 CO 0.17 -0.28 1.69 -0.65 -2.79 0.00 0.00 177.10 175.24 2aj3 h PRO 61 N 6.88 0.30 0.00 0.43 0.11 -1.95 0.13 132.00 137.90 2aj3 h PRO 61 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2aj3 h PRO 61 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2aj3 h PRO 61 CO 0.78 0.20 0.00 0.66 -0.21 0.00 0.00 178.00 179.43 2aj3 h SER 62 N 0.31 0.00 0.00 -2.05 4.64 -1.98 -3.31 113.55 111.17 2aj3 h SER 62 Ca 0.70 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 2aj3 h SER 62 Cb 1.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 2aj3 h SER 62 CO -0.45 0.00 -0.65 0.18 -0.87 0.00 0.00 176.83 175.04 2aj3 n LEU 63 N -2.36 0.00 -0.15 5.97 4.77 0.32 -4.90 117.00 120.65 2aj3 n LEU 63 Ca -0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2aj3 n LEU 63 Cb 0.12 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2aj3 n LEU 63 CO 0.15 0.00 0.22 -1.54 -1.33 0.00 0.00 177.39 174.88 2aj3 n SER 64 N -1.36 -0.27 0.31 -1.43 3.41 -0.32 0.45 113.62 114.41 2aj3 n SER 64 Ca 0.00 0.66 0.19 0.00 -0.26 0.00 0.00 58.87 59.47 2aj3 n SER 64 Cb 0.25 -0.14 1.02 0.00 -0.26 0.00 0.00 64.21 65.08 2aj3 n SER 64 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2aj3 h SER 65 N 0.00 0.00 -0.09 4.04 4.64 -1.88 -1.20 113.55 119.07 2aj3 h SER 65 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2aj3 h SER 65 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2aj3 h SER 65 CO -0.37 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.13 2aj3 n ARG 66 N -3.19 1.49 -4.42 4.77 1.74 0.17 -5.04 116.66 112.18 2aj3 n ARG 66 Ca -0.02 -1.31 -0.33 0.00 -0.77 0.00 0.00 57.85 55.42 2aj3 n ARG 66 Cb 0.21 -1.10 -0.10 0.00 -1.02 0.00 0.00 32.46 30.44 2aj3 n ARG 66 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2aj3 s LEU 67 N -0.73 3.29 -0.19 0.55 2.96 -0.45 -4.09 118.68 120.02 2aj3 s LEU 67 Ca 0.08 -0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 2aj3 s LEU 67 Cb 0.05 -1.86 0.09 0.00 0.50 0.00 0.00 46.19 44.97 2aj3 s LEU 67 CO 0.06 0.30 0.30 -0.55 -1.32 0.00 0.00 176.35 175.14 2aj3 s SER 68 N -1.37 0.53 -0.06 3.68 0.15 -0.85 -4.89 113.70 110.90 2aj3 s SER 68 Ca 0.17 0.32 0.04 0.00 0.70 0.00 0.00 55.95 57.17 2aj3 s SER 68 Cb -0.11 0.80 -0.02 0.00 -1.71 0.00 0.00 66.02 64.97 2aj3 s SER 68 CO 0.07 -0.28 -0.15 -0.76 1.20 0.00 0.00 173.24 173.32 2aj3 s LEU 69 N 2.45 2.67 0.17 3.45 1.43 -1.26 -1.65 118.68 125.94 2aj3 s LEU 69 Ca 0.06 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.84 2aj3 s LEU 69 Cb -0.14 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 2aj3 s LEU 69 CO -0.12 0.32 0.26 -0.94 0.23 0.00 0.00 176.35 176.10 2aj3 s SER 70 N -0.58 0.07 0.10 2.29 1.04 -1.18 -4.97 113.70 110.47 2aj3 s SER 70 Ca 0.08 -0.97 0.09 0.00 0.48 0.00 0.00 55.95 55.63 2aj3 s SER 70 Cb -0.11 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 2aj3 s SER 70 CO 0.01 -0.89 -0.20 -0.32 0.98 0.00 0.00 173.24 172.82 2aj3 s MET 71 N -4.00 1.78 -0.48 4.02 1.75 -1.26 -0.71 119.30 120.39 2aj3 s MET 71 Ca 0.21 -1.16 0.03 0.00 -1.25 0.00 0.00 55.69 53.52 2aj3 s MET 71 Cb 0.04 -2.08 0.15 0.00 2.84 0.00 0.00 34.83 35.78 2aj3 s MET 71 CO 0.02 0.49 0.32 0.34 -0.65 0.00 0.00 175.02 175.54 2aj3 s ASP 72 N -1.90 3.29 0.27 1.11 -1.08 0.25 -4.95 116.67 113.66 2aj3 s ASP 72 Ca 0.16 -2.98 -0.00 0.00 -0.52 0.00 0.00 52.55 49.21 2aj3 s ASP 72 Cb -0.10 -0.97 0.49 0.00 -1.46 0.00 0.00 42.92 40.88 2aj3 s ASP 72 CO 0.08 -0.20 1.85 0.74 0.52 0.00 0.00 175.17 178.16 2aj3 h THR 73 N 4.89 0.99 -0.78 1.71 2.02 -1.95 0.66 112.91 120.44 2aj3 h THR 73 Ca 0.10 -0.37 0.15 0.00 0.77 0.00 0.00 66.41 67.06 2aj3 h THR 73 Cb 0.89 -0.17 -0.15 0.00 -1.74 0.00 0.00 68.15 66.98 2aj3 h THR 73 CO 0.49 0.20 -0.26 -1.28 0.37 0.00 0.00 175.52 175.04 2aj3 h SER 74 N 1.07 -0.94 -0.49 4.18 0.87 -1.93 -0.10 113.55 116.21 2aj3 h SER 74 Ca 0.47 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 61.28 2aj3 h SER 74 Cb 0.35 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2aj3 h SER 74 CO -0.23 -0.28 0.00 0.29 -0.53 0.00 0.00 176.83 176.08 2aj3 n LYS 75 N -5.50 3.06 -3.84 2.24 5.02 -0.96 -4.99 118.16 113.19 2aj3 n LYS 75 Ca 0.10 -2.49 -0.26 0.00 -2.02 0.00 0.00 58.31 53.64 2aj3 n LYS 75 Cb 0.40 -1.56 0.01 0.00 -0.02 0.00 0.00 35.03 33.86 2aj3 n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2aj3 n ASN 76 N 0.78 -1.75 -3.86 4.39 5.15 0.15 -4.85 115.26 115.27 2aj3 n ASN 76 Ca 0.19 -0.98 -0.11 0.00 -0.60 0.00 0.00 54.58 53.08 2aj3 n ASN 76 Cb 0.64 -3.30 -0.06 0.00 -0.53 0.00 0.00 39.78 36.52 2aj3 n ASN 76 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2aj3 s GLN 77 N -6.31 1.55 0.02 1.20 -2.07 -0.77 -2.36 119.66 110.93 2aj3 s GLN 77 Ca 0.13 -1.47 -0.02 0.00 -1.82 0.00 0.00 55.36 52.17 2aj3 s GLN 77 Cb -0.05 0.41 -0.02 0.00 -1.09 0.00 0.00 33.01 32.27 2aj3 s GLN 77 CO 0.87 -0.62 0.02 -0.59 -1.32 0.00 0.00 175.29 173.65 2aj3 s PHE 78 N -3.81 0.23 0.28 9.60 -0.12 -0.91 0.88 117.98 124.13 2aj3 s PHE 78 Ca 0.29 -0.50 0.02 0.00 -0.05 0.00 0.00 56.93 56.69 2aj3 s PHE 78 Cb 0.01 -0.17 -0.01 0.00 -0.63 0.00 0.00 43.02 42.22 2aj3 s PHE 78 CO 0.13 -0.26 0.06 -1.13 -0.05 0.00 0.00 175.22 173.97 2aj3 n SER 79 N 1.30 1.70 -3.83 1.98 3.41 0.11 -0.45 113.62 117.83 2aj3 n SER 79 Ca -0.22 -2.38 -0.12 0.00 -0.26 0.00 0.00 58.87 55.88 2aj3 n SER 79 Cb 0.56 0.51 -0.13 0.00 -0.26 0.00 0.00 64.21 64.89 2aj3 n SER 79 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2aj3 s LEU 80 N 0.00 1.55 -0.15 1.04 0.20 -0.34 -3.10 118.68 117.88 2aj3 s LEU 80 Ca 0.09 0.21 -0.03 0.00 0.69 0.00 0.00 54.13 55.09 2aj3 s LEU 80 Cb 0.00 0.36 0.05 0.00 -0.43 0.00 0.00 46.19 46.17 2aj3 s LEU 80 CO 0.06 -0.04 0.04 -0.60 -0.29 0.00 0.00 176.35 175.52 2aj3 s ARG 81 N 0.11 0.51 0.44 1.98 3.52 -0.66 -1.23 118.95 123.62 2aj3 s ARG 81 Ca -0.00 -0.19 0.06 0.00 -0.13 0.00 0.00 55.73 55.47 2aj3 s ARG 81 Cb -0.01 -1.71 -0.03 0.00 -1.56 0.00 0.00 34.95 31.63 2aj3 s ARG 81 CO -0.00 -0.55 0.20 -1.17 -0.81 0.00 0.00 175.30 172.97 2aj3 s LEU 82 N 1.95 2.97 0.00 -0.88 0.20 -0.20 -2.00 118.68 120.72 2aj3 s LEU 82 Ca 0.01 -1.16 0.00 0.00 0.69 0.00 0.00 54.13 53.67 2aj3 s LEU 82 Cb -0.15 -1.34 0.00 0.00 -0.43 0.00 0.00 46.19 44.27 2aj3 s LEU 82 CO -0.07 -0.67 0.00 -1.20 -0.29 0.00 0.00 176.35 174.12 2aj3 n SER 82 N -1.33 0.00 -4.80 3.68 7.64 -0.87 -0.68 113.62 117.27 2aj3 n SER 82 Ca -0.03 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.50 2aj3 n SER 82 Cb 0.65 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.78 2aj3 n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2aj3 s VAL 82 N -0.32 4.21 0.45 0.44 -7.23 -0.67 -4.63 120.40 112.64 2aj3 s VAL 82 Ca 0.00 1.59 0.03 0.00 -1.81 0.00 0.00 61.98 61.79 2aj3 s VAL 82 Cb 0.00 -3.77 -0.01 0.00 0.56 0.00 0.00 36.38 33.16 2aj3 s VAL 82 CO 0.00 -0.09 0.12 0.42 -0.31 0.00 0.00 175.10 175.24 2aj3 s THR 83 N -1.88 0.58 0.54 5.32 -4.23 -1.26 -0.48 115.64 114.23 2aj3 s THR 83 Ca 0.57 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.28 2aj3 s THR 83 Cb -0.15 -2.21 0.30 0.00 1.34 0.00 0.00 72.50 71.78 2aj3 s THR 83 CO 0.19 0.00 2.17 0.00 -0.54 0.00 0.00 174.62 176.45 2aj3 h ALA 84 N 1.62 1.89 0.00 3.99 0.00 -1.98 -1.53 119.26 123.25 2aj3 h ALA 84 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2aj3 h ALA 84 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2aj3 h ALA 84 CO 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.81 2aj3 n ALA 85 N -2.48 1.20 1.02 0.00 0.00 -1.26 -1.03 120.51 117.96 2aj3 n ALA 85 Ca -0.03 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2aj3 n ALA 85 Cb 0.10 -1.14 0.07 0.00 0.00 0.00 0.00 19.45 18.49 2aj3 n ALA 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2aj3 n ASP 86 N -1.69 0.91 -4.68 0.00 8.00 -0.57 -4.90 116.55 113.62 2aj3 n ASP 86 Ca 0.01 -0.76 -0.42 0.00 0.71 0.00 0.00 54.79 54.33 2aj3 n ASP 86 Cb 0.06 0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 2aj3 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2aj3 s THR 87 N -2.91 2.74 -0.09 -3.53 2.01 -0.20 -4.89 115.64 108.78 2aj3 s THR 87 Ca 0.12 0.14 -0.31 0.00 0.31 0.00 0.00 61.69 61.94 2aj3 s THR 87 Cb 0.17 -3.09 0.12 0.00 0.01 0.00 0.00 72.50 69.71 2aj3 s THR 87 CO 0.75 -0.00 1.39 0.00 -0.69 0.00 0.00 174.62 176.07 2aj3 s ALA 88 N 3.10 -2.71 -0.29 7.40 0.00 -0.72 -4.30 121.76 124.25 2aj3 s ALA 88 Ca 0.81 0.42 -0.13 0.00 0.00 0.00 0.00 51.96 53.06 2aj3 s ALA 88 Cb -0.44 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 2aj3 s ALA 88 CO 0.36 -1.14 0.29 -0.08 0.00 0.00 0.00 175.76 175.19 2aj3 s THR 89 N -2.01 5.24 -0.12 0.00 -1.32 -0.98 -0.66 115.64 115.79 2aj3 s THR 89 Ca 0.27 0.26 -0.16 0.00 -1.21 0.00 0.00 61.69 60.84 2aj3 s THR 89 Cb 0.03 -3.66 -0.05 0.00 -1.51 0.00 0.00 72.50 67.31 2aj3 s THR 89 CO -0.04 0.13 0.39 -0.31 -2.21 0.00 0.00 174.62 172.58 2aj3 s TYR 90 N 1.91 3.52 0.02 9.09 1.51 -0.47 -1.36 117.35 131.58 2aj3 s TYR 90 Ca 0.11 0.78 0.07 0.00 -1.01 0.00 0.00 57.07 57.02 2aj3 s TYR 90 Cb -0.16 -2.43 -0.03 0.00 -0.11 0.00 0.00 41.96 39.23 2aj3 s TYR 90 CO 0.11 0.27 -0.19 0.71 -1.11 0.00 0.00 175.55 175.33 2aj3 s TYR 91 N 0.31 2.53 0.00 2.71 2.02 0.28 -2.10 117.35 123.11 2aj3 s TYR 91 Ca 0.22 -0.28 0.08 0.00 -0.37 0.00 0.00 57.07 56.72 2aj3 s TYR 91 Cb -0.14 -1.48 -0.02 0.00 -0.40 0.00 0.00 41.96 39.91 2aj3 s TYR 91 CO 0.08 0.20 -0.26 0.00 -1.57 0.00 0.00 175.55 174.00 2aj3 s ALA 93 N -0.67 0.19 -0.11 0.00 0.00 -0.50 -0.27 121.76 120.39 2aj3 s ALA 93 Ca 0.10 -1.19 -0.17 0.00 0.00 0.00 0.00 51.96 50.70 2aj3 s ALA 93 Cb -0.10 1.04 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 2aj3 s ALA 93 CO 0.00 -0.85 0.45 0.50 0.00 0.00 0.00 175.76 175.87 2aj3 s ARG 94 N -3.19 4.30 -0.79 0.00 3.52 -0.94 -1.11 118.95 120.73 2aj3 s ARG 94 Ca 0.25 0.41 -0.20 0.00 -0.13 0.00 0.00 55.73 56.07 2aj3 s ARG 94 Cb -0.01 -3.41 0.11 0.00 -1.56 0.00 0.00 34.95 30.07 2aj3 s ARG 94 CO 0.15 0.22 1.01 -0.47 -0.81 0.00 0.00 175.30 175.41 2aj3 s TYR 95 N 0.43 2.96 -0.24 5.12 5.04 -0.74 -1.86 117.35 128.06 2aj3 s TYR 95 Ca 0.25 -1.06 -0.29 0.00 -2.44 0.00 0.00 57.07 53.52 2aj3 s TYR 95 Cb -0.15 -4.25 -0.01 0.00 0.35 0.00 0.00 41.96 37.90 2aj3 s TYR 95 CO 0.10 -1.51 1.34 -1.58 -1.34 0.00 0.00 175.55 172.55 2aj3 s HIS 96 N 3.11 2.65 -0.01 4.97 5.65 0.21 -4.42 115.29 127.45 2aj3 s HIS 96 Ca 0.26 0.86 0.02 0.00 0.25 0.00 0.00 55.06 56.45 2aj3 s HIS 96 Cb -0.11 -3.79 0.00 0.00 -1.18 0.00 0.00 32.58 27.50 2aj3 s HIS 96 CO -0.01 -1.92 -0.06 0.50 -0.65 0.00 0.00 174.74 172.60 2aj3 s ARG 97 N 4.01 0.61 -0.17 2.88 3.52 -1.26 -1.01 118.95 127.53 2aj3 s ARG 97 Ca 0.58 -0.21 -0.06 0.00 -0.13 0.00 0.00 55.73 55.91 2aj3 s ARG 97 Cb -0.20 -0.60 -0.04 0.00 -1.56 0.00 0.00 34.95 32.55 2aj3 s ARG 97 CO 0.21 0.09 0.04 -1.58 -0.81 0.00 0.00 175.30 173.26 2aj3 s HIS 98 N 0.11 3.22 0.60 5.12 5.65 0.03 -4.94 115.29 125.07 2aj3 s HIS 98 Ca -0.01 0.05 0.29 0.00 0.25 0.00 0.00 55.06 55.64 2aj3 s HIS 98 Cb -0.06 -2.03 1.64 0.00 -1.18 0.00 0.00 32.58 30.95 2aj3 s HIS 98 CO -0.00 0.18 2.04 0.27 -0.65 0.00 0.00 174.74 176.58 2aj3 h PHE 99 N 6.48 0.00 0.00 3.88 -0.00 -2.01 0.50 116.94 125.79 2aj3 h PHE 99 Ca -0.38 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.54 2aj3 h PHE 99 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.12 2aj3 h PHE 99 CO 0.57 0.00 -1.08 -0.89 -0.00 0.00 0.00 178.31 176.91 2aj3 n ILE 100 N -3.67 1.46 0.32 0.88 5.41 -1.26 -4.62 119.36 117.88 2aj3 n ILE 100 Ca 0.03 0.10 0.12 0.00 1.00 0.00 0.00 62.75 64.00 2aj3 n ILE 100 Cb 0.41 -2.21 0.55 0.00 -0.71 0.00 0.00 39.64 37.67 2aj3 n ILE 100 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2aj3 h ARG 100 N -0.89 0.00 0.00 0.38 3.08 -1.97 -3.49 114.38 111.49 2aj3 h ARG 100 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2aj3 h ARG 100 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 2aj3 h ARG 100 CO -0.05 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.26 2aj3 n GLY 100 N -0.38 -1.78 3.68 0.04 0.00 0.17 -4.84 105.19 102.08 2aj3 n GLY 100 Ca 0.01 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 2aj3 n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2aj3 n PRO 100 N 0.00 2.67 -0.06 1.61 -0.04 -1.26 -0.79 135.00 137.13 2aj3 n PRO 100 Ca 0.00 0.97 -0.08 0.00 -0.04 0.00 0.00 63.50 64.35 2aj3 n PRO 100 Cb 0.00 -2.86 -0.03 0.00 -0.04 0.00 0.00 33.50 30.58 2aj3 n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2aj3 n LEU 100 N 5.72 1.71 0.00 1.53 4.32 -0.18 -4.93 117.00 125.17 2aj3 n LEU 100 Ca 0.19 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.46 2aj3 n LEU 100 Cb 0.36 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.52 2aj3 n LEU 100 CO 0.67 -0.32 0.00 -1.54 -1.22 0.00 0.00 177.39 174.98 2aj3 n SER 100 N -4.19 0.00 -4.18 -1.43 3.41 -1.01 -5.02 113.62 101.19 2aj3 n SER 100 Ca -0.13 -0.71 -0.37 0.00 -0.26 0.00 0.00 58.87 57.41 2aj3 n SER 100 Cb 0.42 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.25 2aj3 n SER 100 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2aj3 s PHE 100 N -2.69 3.41 -0.13 7.33 0.08 -1.26 0.66 117.98 125.40 2aj3 s PHE 100 Ca 0.00 -1.98 -0.26 0.00 0.12 0.00 0.00 56.93 54.81 2aj3 s PHE 100 Cb 0.00 -2.74 -0.23 0.00 -0.57 0.00 0.00 43.02 39.48 2aj3 s PHE 100 CO 0.00 -0.87 0.73 -0.44 -0.10 0.00 0.00 175.22 174.54 2aj3 h ASP 101 N 8.12 -0.01 -3.46 1.36 5.19 -1.75 -3.45 116.42 122.42 2aj3 h ASP 101 Ca -0.18 -0.85 -0.65 0.00 -0.62 0.00 0.00 57.03 54.73 2aj3 h ASP 101 Cb 1.06 0.00 -0.36 0.00 0.18 0.00 0.00 39.33 40.21 2aj3 h ASP 101 CO 0.65 0.90 -0.82 -0.31 -3.12 0.00 0.00 179.24 176.53 2aj3 s TYR 102 N -2.33 2.82 0.03 4.55 2.02 -1.26 -4.94 117.35 118.25 2aj3 s TYR 102 Ca -0.17 -1.86 -0.02 0.00 -0.37 0.00 0.00 57.07 54.65 2aj3 s TYR 102 Cb -0.02 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2aj3 s TYR 102 CO 0.61 -0.81 0.22 -1.58 -1.57 0.00 0.00 175.55 172.43 2aj3 s TRP 103 N 1.26 3.53 0.68 2.71 0.52 -1.26 -2.21 118.94 124.17 2aj3 s TRP 103 Ca -0.02 0.37 -0.09 0.00 0.02 0.00 0.00 56.10 56.38 2aj3 s TRP 103 Cb -0.16 -1.84 0.03 0.00 -1.15 0.00 0.00 33.47 30.34 2aj3 s TRP 103 CO -0.09 0.60 1.02 0.20 0.02 0.00 0.00 176.95 178.70 2aj3 s GLY 104 N -2.17 1.63 0.12 0.98 0.00 0.62 -4.80 107.32 103.70 2aj3 s GLY 104 Ca 0.32 -0.63 0.23 0.00 0.00 0.00 0.00 44.72 44.64 2aj3 s GLY 104 CO 0.22 -0.27 1.72 -2.13 0.00 0.00 0.00 173.10 172.65 2aj3 n ARG 105 N -2.88 0.12 -0.48 2.90 0.63 -1.26 -4.71 116.66 110.99 2aj3 n ARG 105 Ca 0.06 0.22 0.01 0.00 -0.92 0.00 0.00 57.85 57.23 2aj3 n ARG 105 Cb 0.58 -1.67 -0.01 0.00 0.45 0.00 0.00 32.46 31.82 2aj3 n ARG 105 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2aj3 n GLY 106 N 0.70 -3.12 3.29 5.14 0.00 -1.26 -5.01 105.19 104.93 2aj3 n GLY 106 Ca 0.05 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 2aj3 n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aj3 s THR 107 N -4.23 1.94 0.26 2.61 -4.23 -0.89 -4.93 115.64 106.17 2aj3 s THR 107 Ca 0.00 -1.10 -0.29 0.00 -1.18 0.00 0.00 61.69 59.12 2aj3 s THR 107 Cb 0.00 -1.62 -0.09 0.00 1.34 0.00 0.00 72.50 72.13 2aj3 s THR 107 CO 0.00 0.50 0.95 -0.22 -0.54 0.00 0.00 174.62 175.32 2aj3 s LEU 108 N -0.69 4.59 -0.09 4.79 2.96 -1.26 -1.36 118.68 127.60 2aj3 s LEU 108 Ca 0.10 1.95 0.01 0.00 -0.22 0.00 0.00 54.13 55.97 2aj3 s LEU 108 Cb -0.09 -3.68 0.02 0.00 0.50 0.00 0.00 46.19 42.93 2aj3 s LEU 108 CO -0.00 0.10 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.32 2aj3 s VAL 109 N -1.26 1.22 -0.18 1.68 1.01 0.17 -4.56 120.40 118.49 2aj3 s VAL 109 Ca 0.43 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 2aj3 s VAL 109 Cb -0.25 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 34.98 2aj3 s VAL 109 CO 0.31 0.39 -0.14 -0.89 0.00 0.00 0.00 175.10 174.76 2aj3 s THR 110 N 1.08 2.63 -0.27 3.92 2.01 -0.05 -1.75 115.64 123.21 2aj3 s THR 110 Ca -0.06 -0.76 -0.20 0.00 0.31 0.00 0.00 61.69 60.98 2aj3 s THR 110 Cb -0.15 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 2aj3 s THR 110 CO -0.02 0.50 0.60 -0.69 -0.69 0.00 0.00 174.62 174.32 2aj3 s VAL 111 N 1.09 5.00 -0.06 3.82 1.01 -1.26 -0.87 120.40 129.14 2aj3 s VAL 111 Ca 0.00 1.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.70 2aj3 s VAL 111 Cb -0.14 -3.91 0.11 0.00 0.00 0.00 0.00 36.38 32.43 2aj3 s VAL 111 CO -0.05 0.01 0.90 -0.55 0.00 0.00 0.00 175.10 175.42 2aj3 s SER 112 N 1.52 -0.39 0.00 3.32 0.15 -0.79 -4.75 113.70 112.76 2aj3 s SER 112 Ca 0.25 0.19 0.23 0.00 0.70 0.00 0.00 55.95 57.31 2aj3 s SER 112 Cb -0.15 0.37 0.09 0.00 -1.71 0.00 0.00 66.02 64.61 2aj3 s SER 112 CO 0.09 -0.53 1.17 -1.54 1.20 0.00 0.00 173.24 173.63 2aj3 n SER 113 N 0.16 2.50 -4.77 5.45 3.41 -1.26 -3.93 113.62 115.18 2aj3 n SER 113 Ca -0.10 -1.75 -0.40 0.00 -0.26 0.00 0.00 58.87 56.36 2aj3 n SER 113 Cb 0.60 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 2aj3 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aj3 s ALA 114 N -2.25 3.36 0.06 7.33 0.00 -1.26 -5.00 121.76 124.00 2aj3 s ALA 114 Ca 0.23 1.41 -0.14 0.00 0.00 0.00 0.00 51.96 53.46 2aj3 s ALA 114 Cb 0.19 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 2aj3 s ALA 114 CO 0.44 -1.00 0.47 -1.12 0.00 0.00 0.00 175.76 174.54 2aj3 s SER 115 N -0.47 6.83 0.25 0.00 0.01 -1.26 -5.01 113.70 114.04 2aj3 s SER 115 Ca 0.57 1.01 -0.30 0.00 1.31 0.00 0.00 55.95 58.53 2aj3 s SER 115 Cb -0.43 -2.26 -0.14 0.00 0.21 0.00 0.00 66.02 63.40 2aj3 s SER 115 CO 0.56 0.24 1.15 0.41 0.41 0.00 0.00 173.24 176.01 2aj3 n THR 116 N 1.38 1.47 -3.63 1.44 -1.04 -1.26 -4.68 114.28 107.96 2aj3 n THR 116 Ca -0.10 -0.37 -0.15 0.00 -2.04 0.00 0.00 64.05 61.39 2aj3 n THR 116 Cb 0.52 -1.09 -0.07 0.00 -1.82 0.00 0.00 70.33 67.86 2aj3 n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2aj3 s LYS 117 N -1.02 0.81 0.57 -2.82 2.20 0.17 -4.93 119.74 114.73 2aj3 s LYS 117 Ca 0.64 0.71 -0.13 0.00 -0.36 0.00 0.00 55.97 56.83 2aj3 s LYS 117 Cb -0.72 0.39 -0.06 0.00 -1.51 0.00 0.00 37.83 35.93 2aj3 s LYS 117 CO 0.56 -0.14 1.01 0.20 -0.36 0.00 0.00 175.35 176.61 2aj3 s GLY 118 N -0.05 1.84 0.34 5.54 0.00 -1.26 -1.60 107.32 112.12 2aj3 s GLY 118 Ca -0.03 0.03 0.02 0.00 0.00 0.00 0.00 44.72 44.74 2aj3 s GLY 118 CO 0.03 0.30 0.52 2.56 0.00 0.00 0.00 173.10 176.51 2aj3 s PRO 119 N -4.67 3.38 0.10 2.90 0.04 -1.26 -4.47 135.00 131.03 2aj3 s PRO 119 Ca 0.57 -0.51 -0.11 0.00 0.04 0.00 0.00 61.00 60.99 2aj3 s PRO 119 Cb -0.10 -2.71 -0.06 0.00 0.04 0.00 0.00 34.50 31.66 2aj3 s PRO 119 CO 0.44 0.14 0.44 -1.12 0.04 0.00 0.00 177.00 176.94 2aj3 s SER 120 N -4.06 6.68 -0.18 6.66 0.01 0.39 -4.89 113.70 118.32 2aj3 s SER 120 Ca 0.40 0.86 0.01 0.00 1.31 0.00 0.00 55.95 58.53 2aj3 s SER 120 Cb -0.09 -2.20 0.02 0.00 0.21 0.00 0.00 66.02 63.96 2aj3 s SER 120 CO 0.34 0.14 -0.18 -0.69 0.41 0.00 0.00 173.24 173.27 2aj3 s VAL 121 N -1.43 1.93 -0.04 3.43 1.01 -1.26 -0.87 120.40 123.16 2aj3 s VAL 121 Ca 0.35 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.48 2aj3 s VAL 121 Cb -0.14 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 2aj3 s VAL 121 CO 0.19 0.48 -0.17 -0.36 0.00 0.00 0.00 175.10 175.24 2aj3 s PHE 122 N 1.34 2.61 0.33 5.22 0.08 -0.13 -4.96 117.98 122.46 2aj3 s PHE 122 Ca 0.04 -0.23 -0.27 0.00 0.12 0.00 0.00 56.93 56.60 2aj3 s PHE 122 Cb -0.13 -1.59 -0.09 0.00 -0.57 0.00 0.00 43.02 40.63 2aj3 s PHE 122 CO -0.12 0.13 1.02 -1.25 -0.10 0.00 0.00 175.22 174.91 2aj3 s PRO 123 N -0.71 4.49 -0.77 0.24 0.04 -1.26 -0.57 135.00 136.46 2aj3 s PRO 123 Ca 0.11 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.69 2aj3 s PRO 123 Cb -0.10 -2.88 0.19 0.00 0.04 0.00 0.00 34.50 31.74 2aj3 s PRO 123 CO 0.00 0.15 0.62 -0.51 0.04 0.00 0.00 177.00 177.30 2aj3 s LEU 124 N -1.97 5.32 0.32 -3.56 1.43 -0.35 -4.85 118.68 115.02 2aj3 s LEU 124 Ca 0.50 -3.45 -0.29 0.00 -1.03 0.00 0.00 54.13 49.86 2aj3 s LEU 124 Cb -0.25 -1.85 -0.11 0.00 0.03 0.00 0.00 46.19 44.02 2aj3 s LEU 124 CO 0.31 -0.23 1.42 0.00 0.23 0.00 0.00 176.35 178.08 2aj3 s ALA 125 N -0.93 3.58 0.43 4.21 0.00 -1.26 -1.90 121.76 125.89 2aj3 s ALA 125 Ca 0.23 1.41 -0.24 0.00 0.00 0.00 0.00 51.96 53.36 2aj3 s ALA 125 Cb -0.12 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.37 2aj3 s ALA 125 CO -0.10 -0.83 1.17 -1.25 0.00 0.00 0.00 175.76 174.76 2aj3 s PRO 126 N -1.43 3.92 0.04 0.00 0.04 -1.26 -4.87 135.00 131.44 2aj3 s PRO 126 Ca 0.54 1.82 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 2aj3 s PRO 126 Cb -0.43 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.55 2aj3 s PRO 126 CO 0.53 -0.43 0.07 -1.13 0.04 0.00 0.00 177.00 176.08 2aj3 n SER 127 N -0.18 -0.19 0.19 6.66 3.41 -1.26 -3.34 113.62 118.91 2aj3 n SER 127 Ca 0.06 -1.16 0.14 0.00 -0.26 0.00 0.00 58.87 57.64 2aj3 n SER 127 Cb 0.47 0.33 0.56 0.00 -0.26 0.00 0.00 64.21 65.31 2aj3 n SER 127 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2aj3 h SER 128 N 0.19 0.00 0.50 4.04 4.64 -1.94 -1.93 113.55 119.05 2aj3 h SER 128 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2aj3 h SER 128 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2aj3 h SER 128 CO 0.04 0.00 -0.37 0.29 -0.87 0.00 0.00 176.83 175.92 2aj3 n LYS 129 N -2.60 0.20 -0.55 4.77 4.76 -1.26 -3.89 118.16 119.58 2aj3 n LYS 129 Ca 0.02 -0.11 0.06 0.00 -2.87 0.00 0.00 58.31 55.41 2aj3 n LYS 129 Cb 0.28 -1.50 0.13 0.00 -1.84 0.00 0.00 35.03 32.10 2aj3 n LYS 129 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2aj3 n SER 130 N -1.31 1.61 -4.23 4.39 3.41 -0.75 -5.03 113.62 111.71 2aj3 n SER 130 Ca 0.08 -3.14 -0.29 0.00 -0.26 0.00 0.00 58.87 55.26 2aj3 n SER 130 Cb 0.33 -0.43 -0.16 0.00 -0.26 0.00 0.00 64.21 63.70 2aj3 n SER 130 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2aj3 s THR 131 N -2.26 1.80 -0.06 6.66 2.01 -1.05 -0.28 115.64 122.47 2aj3 s THR 131 Ca 0.31 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 61.34 2aj3 s THR 131 Cb 0.30 -1.52 0.04 0.00 0.01 0.00 0.00 72.50 71.33 2aj3 s THR 131 CO -0.04 0.51 0.09 -0.55 -0.69 0.00 0.00 174.62 173.93 2aj3 s SER 132 N -0.26 1.13 1.39 3.53 0.15 -0.09 -4.99 113.70 114.57 2aj3 s SER 132 Ca 0.01 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2aj3 s SER 132 Cb -0.11 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 2aj3 s SER 132 CO 0.02 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2aj3 n GLY 133 N 5.30 2.72 1.50 9.45 0.00 -1.26 -2.29 105.19 120.62 2aj3 n GLY 133 Ca -0.04 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 45.72 2aj3 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aj3 n GLY 134 N 0.00 2.49 3.11 -0.02 0.00 -1.26 -4.92 105.19 104.59 2aj3 n GLY 134 Ca 0.00 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 2aj3 n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aj3 s THR 135 N -2.17 0.83 0.13 2.61 -4.23 -0.97 -1.93 115.64 109.90 2aj3 s THR 135 Ca 0.42 -1.09 0.07 0.00 -1.18 0.00 0.00 61.69 59.91 2aj3 s THR 135 Cb 0.30 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 73.28 2aj3 s THR 135 CO 0.15 -0.23 -0.17 -0.44 -0.54 0.00 0.00 174.62 173.39 2aj3 s SER 136 N -1.47 2.28 0.11 3.99 0.01 0.41 -0.91 113.70 118.13 2aj3 s SER 136 Ca -0.04 -0.78 0.07 0.00 1.31 0.00 0.00 55.95 56.50 2aj3 s SER 136 Cb -0.09 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 2aj3 s SER 136 CO 0.01 -0.06 -0.07 0.00 0.41 0.00 0.00 173.24 173.53 2aj3 s ALA 137 N -1.84 3.05 0.19 1.44 0.00 0.62 0.27 121.76 125.49 2aj3 s ALA 137 Ca 0.09 -1.24 -0.10 0.00 0.00 0.00 0.00 51.96 50.71 2aj3 s ALA 137 Cb -0.07 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 2aj3 s ALA 137 CO 0.04 0.64 0.35 -0.48 0.00 0.00 0.00 175.76 176.30 2aj3 s LEU 138 N -2.32 0.72 0.00 0.00 0.05 0.09 -4.19 118.68 113.03 2aj3 s LEU 138 Ca 0.23 -0.88 0.00 0.00 0.05 0.00 0.00 54.13 53.53 2aj3 s LEU 138 Cb -0.11 1.38 0.00 0.00 -2.05 0.00 0.00 46.19 45.41 2aj3 s LEU 138 CO 0.15 -0.97 0.00 0.61 -0.55 0.00 0.00 176.35 175.59 2aj3 n GLY 139 N -0.27 1.67 2.87 -3.48 0.00 -0.80 0.29 105.19 105.46 2aj3 n GLY 139 Ca -0.05 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 2aj3 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj3 s LEU 141 N 0.33 4.31 -0.56 0.00 2.96 0.26 -0.61 118.68 125.38 2aj3 s LEU 141 Ca -0.03 -0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 53.39 2aj3 s LEU 141 Cb -0.04 -2.10 0.14 0.00 0.50 0.00 0.00 46.19 44.70 2aj3 s LEU 141 CO -0.01 -0.19 0.47 -0.69 -1.32 0.00 0.00 176.35 174.61 2aj3 s VAL 142 N 1.70 4.76 0.10 1.68 1.01 0.35 -0.95 120.40 129.05 2aj3 s VAL 142 Ca 0.06 -1.86 0.07 0.00 0.00 0.00 0.00 61.98 60.25 2aj3 s VAL 142 Cb -0.17 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2aj3 s VAL 142 CO 0.09 -0.86 -0.11 -0.75 0.00 0.00 0.00 175.10 173.48 2aj3 s LYS 143 N 1.18 2.11 -0.85 2.72 2.20 -0.05 -0.28 119.74 126.78 2aj3 s LYS 143 Ca 0.07 -1.03 -0.04 0.00 -0.36 0.00 0.00 55.97 54.62 2aj3 s LYS 143 Cb -0.25 -2.30 -0.01 0.00 -1.51 0.00 0.00 37.83 33.77 2aj3 s LYS 143 CO -0.01 0.51 0.72 -0.25 -0.36 0.00 0.00 175.35 175.96 2aj3 n ASP 144 N 0.75 -6.74 -4.14 1.43 8.00 -0.76 -0.46 116.55 114.63 2aj3 n ASP 144 Ca -0.14 -0.46 -0.17 0.00 0.71 0.00 0.00 54.79 54.74 2aj3 n ASP 144 Cb 0.52 -4.31 -0.12 0.00 -0.02 0.00 0.00 41.12 37.19 2aj3 n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2aj3 s TYR 145 N -3.11 1.08 -0.15 1.24 1.13 -0.95 -4.07 117.35 112.53 2aj3 s TYR 145 Ca 0.12 -0.46 -0.10 0.00 -1.41 0.00 0.00 57.07 55.22 2aj3 s TYR 145 Cb -0.03 -0.62 0.05 0.00 -1.10 0.00 0.00 41.96 40.26 2aj3 s TYR 145 CO 0.79 0.02 0.37 0.12 -2.51 0.00 0.00 175.55 174.34 2aj3 s PHE 146 N -1.28 -0.48 0.00 -3.49 5.36 -0.63 -0.99 117.98 116.47 2aj3 s PHE 146 Ca -0.04 1.09 0.00 0.00 -0.96 0.00 0.00 56.93 57.02 2aj3 s PHE 146 Cb -0.10 0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.76 2aj3 s PHE 146 CO 0.02 -0.27 0.00 -0.35 -1.46 0.00 0.00 175.22 173.16 2aj3 n PRO 147 N 3.72 3.43 -2.11 10.12 -0.04 -1.26 0.44 135.00 149.30 2aj3 n PRO 147 Ca -0.20 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.94 2aj3 n PRO 147 Cb 0.56 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.01 2aj3 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2aj3 s GLU 148 N 2.40 3.65 0.41 0.54 0.41 -1.26 -4.74 118.70 120.11 2aj3 s GLU 148 Ca 0.00 0.94 0.05 0.00 -0.41 0.00 0.00 54.97 55.56 2aj3 s GLU 148 Cb 0.00 -2.09 0.05 0.00 -1.78 0.00 0.00 34.13 30.32 2aj3 s GLU 148 CO 0.00 -0.52 0.45 -0.35 -0.49 0.00 0.00 175.26 174.35 2aj3 n PRO 149 N -2.12 0.80 -4.24 0.39 -0.04 -1.26 -5.00 135.00 123.53 2aj3 n PRO 149 Ca 0.07 -2.35 -0.19 0.00 -0.04 0.00 0.00 63.50 60.99 2aj3 n PRO 149 Cb 0.54 0.02 -0.15 0.00 -0.04 0.00 0.00 33.50 33.86 2aj3 n PRO 149 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2aj3 s VAL 150 N -1.76 0.57 -0.15 0.52 1.01 -1.26 -4.58 120.40 114.75 2aj3 s VAL 150 Ca 0.34 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 2aj3 s VAL 150 Cb -0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2aj3 s VAL 150 CO 0.22 0.19 0.03 -0.89 0.00 0.00 0.00 175.10 174.65 2aj3 s THR 151 N 0.29 4.53 -0.01 3.92 2.01 -0.45 -4.97 115.64 120.96 2aj3 s THR 151 Ca -0.04 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 61.87 2aj3 s THR 151 Cb -0.08 -2.99 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 2aj3 s THR 151 CO 0.00 0.52 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.61 2aj3 s VAL 152 N -0.05 1.18 0.22 3.82 1.01 -1.26 -0.65 120.40 124.67 2aj3 s VAL 152 Ca 0.05 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 2aj3 s VAL 152 Cb -0.12 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 2aj3 s VAL 152 CO 0.01 0.33 0.32 -0.94 0.00 0.00 0.00 175.10 174.83 2aj3 s SER 153 N -0.30 0.02 -0.12 3.32 1.04 -0.70 -4.97 113.70 111.99 2aj3 s SER 153 Ca 0.05 -1.12 0.02 0.00 0.48 0.00 0.00 55.95 55.38 2aj3 s SER 153 Cb -0.06 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.56 2aj3 s SER 153 CO -0.00 -1.00 -0.19 0.26 0.98 0.00 0.00 173.24 173.29 2aj3 s TRP 154 N -4.08 2.27 -1.41 5.02 0.52 -1.26 -0.24 118.94 119.77 2aj3 s TRP 154 Ca 0.29 -1.07 -0.05 0.00 0.02 0.00 0.00 56.10 55.30 2aj3 s TRP 154 Cb 0.03 -1.58 0.03 0.00 -1.15 0.00 0.00 33.47 30.80 2aj3 s TRP 154 CO 0.10 -0.50 0.72 0.09 0.02 0.00 0.00 176.95 177.38 2aj3 n ASN 155 N 4.03 -2.09 -3.00 2.95 3.02 -0.26 -1.27 115.26 118.63 2aj3 n ASN 155 Ca -0.20 -0.86 -0.21 0.00 -0.03 0.00 0.00 54.58 53.28 2aj3 n ASN 155 Cb 0.52 -3.74 0.05 0.00 -0.61 0.00 0.00 39.78 36.00 2aj3 n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2aj3 n SER 156 N -2.96 -5.93 -0.11 6.41 7.64 -1.26 -1.57 113.62 115.83 2aj3 n SER 156 Ca -0.19 -0.34 -0.01 0.00 1.01 0.00 0.00 58.87 59.33 2aj3 n SER 156 Cb 0.63 -4.69 -0.01 0.00 -1.01 0.00 0.00 64.21 59.13 2aj3 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aj3 n GLY 157 N -1.62 0.49 0.14 0.23 0.00 -0.52 -4.85 105.19 99.06 2aj3 n GLY 157 Ca -0.07 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.84 2aj3 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj3 h ALA 158 N 0.00 0.62 -3.25 4.61 0.00 -0.80 -3.42 119.26 117.03 2aj3 h ALA 158 Ca -0.03 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.19 2aj3 h ALA 158 Cb 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.73 2aj3 h ALA 158 CO 0.04 0.00 -0.60 -1.17 0.00 0.00 0.00 179.25 177.53 2aj3 s LEU 159 N -5.50 4.79 -0.00 0.00 0.20 -0.40 -4.90 118.68 112.88 2aj3 s LEU 159 Ca 0.02 -1.74 0.00 0.00 0.69 0.00 0.00 54.13 53.09 2aj3 s LEU 159 Cb 0.09 -1.80 -0.00 0.00 -0.43 0.00 0.00 46.19 44.04 2aj3 s LEU 159 CO 0.76 -0.44 0.00 0.35 -0.29 0.00 0.00 176.35 176.72 2aj3 n THR 160 N 4.62 0.03 -2.14 3.68 -2.24 -1.26 -4.02 114.28 112.95 2aj3 n THR 160 Ca -0.06 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 2aj3 n THR 160 Cb 0.42 -0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 2aj3 n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2aj3 s SER 161 N -3.24 6.77 0.00 3.42 0.15 -1.26 -2.60 113.70 116.94 2aj3 s SER 161 Ca -0.00 2.18 0.00 0.00 0.70 0.00 0.00 55.95 58.82 2aj3 s SER 161 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2aj3 s SER 161 CO 0.02 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.27 2aj3 n GLY 162 N 3.80 0.74 3.85 9.45 0.00 -1.26 -4.80 105.19 116.97 2aj3 n GLY 162 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2aj3 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aj3 s VAL 163 N -2.53 4.69 -0.21 1.61 1.01 -1.07 -3.00 120.40 120.90 2aj3 s VAL 163 Ca 0.00 0.94 -0.04 0.00 0.00 0.00 0.00 61.98 62.89 2aj3 s VAL 163 Cb 0.00 -3.64 0.10 0.00 0.00 0.00 0.00 36.38 32.83 2aj3 s VAL 163 CO 0.00 -0.12 0.22 -1.00 0.00 0.00 0.00 175.10 174.20 2aj3 s HIS 164 N -1.90 -0.25 -0.32 5.22 3.76 0.31 -4.98 115.29 117.14 2aj3 s HIS 164 Ca 0.52 0.14 -0.10 0.00 -0.15 0.00 0.00 55.06 55.47 2aj3 s HIS 164 Cb -0.11 -0.40 -0.00 0.00 1.11 0.00 0.00 32.58 33.18 2aj3 s HIS 164 CO 0.18 -0.63 0.16 0.99 -0.85 0.00 0.00 174.74 174.59 2aj3 s THR 165 N 2.31 4.59 0.62 1.30 2.01 -1.26 -1.01 115.64 124.20 2aj3 s THR 165 Ca 0.07 -0.46 -0.11 0.00 0.31 0.00 0.00 61.69 61.50 2aj3 s THR 165 Cb -0.16 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2aj3 s THR 165 CO -0.14 0.04 1.02 -0.36 -0.69 0.00 0.00 174.62 174.50 2aj3 s PHE 166 N 1.61 3.62 0.69 4.92 0.40 -1.01 -5.03 117.98 123.18 2aj3 s PHE 166 Ca 0.04 1.27 -0.16 0.00 -0.60 0.00 0.00 56.93 57.48 2aj3 s PHE 166 Cb -0.17 -2.72 0.02 0.00 0.51 0.00 0.00 43.02 40.66 2aj3 s PHE 166 CO 0.06 -0.69 1.18 -2.14 0.70 0.00 0.00 175.22 174.33 2aj3 s PRO 167 N -5.17 2.43 0.73 0.24 0.02 -1.26 -4.67 135.00 127.31 2aj3 s PRO 167 Ca 0.55 1.68 -0.11 0.00 0.02 0.00 0.00 61.00 63.14 2aj3 s PRO 167 Cb -0.11 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 32.56 2aj3 s PRO 167 CO 0.54 -1.60 1.08 0.00 -0.33 0.00 0.00 177.00 176.69 2aj3 s ALA 168 N -2.01 2.59 -0.07 -1.55 0.00 -1.26 -4.79 121.76 114.68 2aj3 s ALA 168 Ca 0.73 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.60 2aj3 s ALA 168 Cb -0.27 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.74 2aj3 s ALA 168 CO 0.42 -1.35 -0.15 0.54 0.00 0.00 0.00 175.76 175.22 2aj3 s VAL 169 N -3.15 1.36 -0.40 0.00 0.11 -0.19 -4.92 120.40 113.21 2aj3 s VAL 169 Ca 0.59 -0.63 -0.24 0.00 -2.93 0.00 0.00 61.98 58.78 2aj3 s VAL 169 Cb -0.13 -1.21 0.02 0.00 -1.53 0.00 0.00 36.38 33.52 2aj3 s VAL 169 CO 0.54 0.40 0.81 -0.22 -3.33 0.00 0.00 175.10 173.30 2aj3 s LEU 170 N 0.45 4.14 0.84 2.54 2.96 -1.26 -0.33 118.68 128.03 2aj3 s LEU 170 Ca -0.13 0.23 -0.12 0.00 -0.22 0.00 0.00 54.13 53.89 2aj3 s LEU 170 Cb -0.15 -3.04 0.10 0.00 0.50 0.00 0.00 46.19 43.60 2aj3 s LEU 170 CO 0.04 -0.82 1.12 -1.10 -1.32 0.00 0.00 176.35 174.27 2aj3 s GLN 171 N 3.23 1.70 0.27 1.98 -0.21 -0.05 -4.92 119.66 121.66 2aj3 s GLN 171 Ca 0.32 0.48 0.22 0.00 0.02 0.00 0.00 55.36 56.40 2aj3 s GLN 171 Cb -0.13 -1.89 1.02 0.00 1.00 0.00 0.00 33.01 33.02 2aj3 s GLN 171 CO 0.19 -1.85 1.68 -1.13 -2.12 0.00 0.00 175.29 172.06 2aj3 n SER 172 N -3.56 0.61 0.17 5.90 3.41 -1.26 -1.48 113.62 117.41 2aj3 n SER 172 Ca 0.07 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.50 2aj3 n SER 172 Cb 0.58 -0.81 0.37 0.00 -0.26 0.00 0.00 64.21 64.09 2aj3 n SER 172 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2aj3 h SER 173 N 0.00 0.00 0.00 4.04 4.64 -2.02 -3.46 113.55 116.75 2aj3 h SER 173 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2aj3 h SER 173 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2aj3 h SER 173 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2aj3 n GLY 174 N 0.92 0.66 3.76 -0.77 0.00 -0.55 -5.02 105.19 104.20 2aj3 n GLY 174 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2aj3 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aj3 s LEU 175 N 0.00 3.85 0.45 0.99 1.43 -1.26 -4.88 118.68 119.26 2aj3 s LEU 175 Ca 0.00 0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 53.10 2aj3 s LEU 175 Cb 0.00 -2.13 -0.08 0.00 0.03 0.00 0.00 46.19 44.01 2aj3 s LEU 175 CO 0.00 0.31 0.91 -0.31 0.23 0.00 0.00 176.35 177.49 2aj3 s TYR 176 N -1.10 3.41 -0.03 0.29 2.02 -0.16 -0.87 117.35 120.91 2aj3 s TYR 176 Ca 0.20 1.39 -0.01 0.00 -0.37 0.00 0.00 57.07 58.28 2aj3 s TYR 176 Cb -0.12 -2.71 0.03 0.00 -0.40 0.00 0.00 41.96 38.76 2aj3 s TYR 176 CO 0.10 -0.20 0.04 0.45 -1.57 0.00 0.00 175.55 174.37 2aj3 s SER 177 N -2.77 0.63 0.05 2.29 0.15 0.56 -1.82 113.70 112.79 2aj3 s SER 177 Ca 0.58 0.06 0.05 0.00 0.70 0.00 0.00 55.95 57.33 2aj3 s SER 177 Cb -0.10 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.08 2aj3 s SER 177 CO 0.25 -0.19 -0.14 -0.22 1.20 0.00 0.00 173.24 174.14 2aj3 s LEU 178 N 1.64 2.22 -0.02 3.45 1.98 0.62 -1.02 118.68 127.55 2aj3 s LEU 178 Ca -0.02 -0.53 0.05 0.00 -2.89 0.00 0.00 54.13 50.74 2aj3 s LEU 178 Cb -0.12 -0.54 -0.01 0.00 0.66 0.00 0.00 46.19 46.17 2aj3 s LEU 178 CO -0.03 -0.03 -0.16 -0.94 -1.89 0.00 0.00 176.35 173.30 2aj3 s SER 179 N -1.44 1.93 -0.10 3.68 1.04 -1.26 0.13 113.70 117.68 2aj3 s SER 179 Ca -0.01 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.15 2aj3 s SER 179 Cb -0.09 -0.27 0.01 0.00 0.10 0.00 0.00 66.02 65.77 2aj3 s SER 179 CO 0.02 0.19 -0.17 -0.55 0.98 0.00 0.00 173.24 173.71 2aj3 s SER 180 N -0.30 2.47 0.31 7.02 0.15 0.22 -2.42 113.70 121.16 2aj3 s SER 180 Ca 0.05 -0.44 0.04 0.00 0.70 0.00 0.00 55.95 56.29 2aj3 s SER 180 Cb -0.07 -1.12 -0.06 0.00 -1.71 0.00 0.00 66.02 63.06 2aj3 s SER 180 CO -0.00 0.05 0.05 0.68 1.20 0.00 0.00 173.24 175.22 2aj3 s VAL 181 N 0.80 1.17 -0.20 4.45 -7.23 -0.18 0.70 120.40 119.91 2aj3 s VAL 181 Ca -0.10 -2.01 -0.25 0.00 -1.81 0.00 0.00 61.98 57.81 2aj3 s VAL 181 Cb -0.16 -2.74 0.06 0.00 0.56 0.00 0.00 36.38 34.11 2aj3 s VAL 181 CO 0.01 -0.04 0.66 0.54 -0.31 0.00 0.00 175.10 175.96 2aj3 s VAL 182 N -3.31 0.00 -0.04 1.32 0.11 0.14 -0.53 120.40 118.09 2aj3 s VAL 182 Ca 0.36 -0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.37 2aj3 s VAL 182 Cb 0.08 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 2aj3 s VAL 182 CO 0.15 -0.01 0.08 0.42 -3.33 0.00 0.00 175.10 172.41 2aj3 s THR 183 N -0.05 4.80 0.14 5.04 -4.23 -1.16 -0.73 115.64 119.45 2aj3 s THR 183 Ca -0.03 -0.25 -0.09 0.00 -1.18 0.00 0.00 61.69 60.14 2aj3 s THR 183 Cb -0.04 -3.14 -0.01 0.00 1.34 0.00 0.00 72.50 70.66 2aj3 s THR 183 CO 0.03 0.46 0.25 0.54 -0.54 0.00 0.00 174.62 175.35 2aj3 s VAL 184 N -1.10 0.09 0.07 2.29 0.11 0.14 -4.80 120.40 117.21 2aj3 s VAL 184 Ca 0.19 -1.32 -0.31 0.00 -2.93 0.00 0.00 61.98 57.61 2aj3 s VAL 184 Cb -0.12 -1.67 -0.11 0.00 -1.53 0.00 0.00 36.38 32.96 2aj3 s VAL 184 CO 0.10 -0.42 1.87 -2.65 -3.33 0.00 0.00 175.10 170.67 2aj3 n PRO 185 N -0.16 2.71 -0.20 1.54 -0.02 -1.26 -0.44 135.00 137.17 2aj3 n PRO 185 Ca -0.10 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 2aj3 n PRO 185 Cb 0.63 -2.89 0.11 0.00 -0.02 0.00 0.00 33.50 31.33 2aj3 n PRO 185 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2aj3 h SER 186 N 9.10 0.23 -0.56 2.55 0.02 -1.69 0.37 113.55 123.57 2aj3 h SER 186 Ca -0.48 0.08 0.16 0.00 -0.84 0.00 0.00 61.79 60.71 2aj3 h SER 186 Cb 1.24 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 2aj3 h SER 186 CO 0.94 0.14 0.47 0.77 -1.14 0.00 0.00 176.83 178.00 2aj3 h SER 187 N 0.41 0.00 1.01 3.07 4.64 -1.89 0.20 113.55 120.99 2aj3 h SER 187 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2aj3 h SER 187 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2aj3 h SER 187 CO -0.31 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.11 2aj3 n SER 188 N -4.06 0.72 0.00 4.97 3.41 0.12 -3.30 113.62 115.48 2aj3 n SER 188 Ca 0.11 0.63 0.03 0.00 -0.26 0.00 0.00 58.87 59.38 2aj3 n SER 188 Cb 0.69 -0.80 0.20 0.00 -0.26 0.00 0.00 64.21 64.04 2aj3 n SER 188 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2aj3 n LEU 189 N -2.24 0.00 -0.07 1.04 4.77 0.69 -0.81 117.00 120.38 2aj3 n LEU 189 Ca 0.03 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.95 2aj3 n LEU 189 Cb 0.31 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 2aj3 n LEU 189 CO 0.24 -0.00 -0.93 0.61 -1.33 0.00 0.00 177.39 175.98 2aj3 n GLY 190 N -0.57 -0.65 0.00 -0.72 0.00 -1.21 -4.73 105.19 97.31 2aj3 n GLY 190 Ca 0.05 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.89 2aj3 n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2aj3 n THR 191 N -2.49 0.00 -4.57 2.61 -2.24 -0.92 -5.00 114.28 101.68 2aj3 n THR 191 Ca -0.21 -0.28 -0.34 0.00 -2.27 0.00 0.00 64.05 60.95 2aj3 n THR 191 Cb 0.93 0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 69.87 2aj3 n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2aj3 s GLN 192 N -2.00 2.80 -0.17 -0.78 2.00 0.01 -5.09 119.66 116.43 2aj3 s GLN 192 Ca 0.01 -0.52 -0.06 0.00 -2.00 0.00 0.00 55.36 52.80 2aj3 s GLN 192 Cb 0.06 -2.64 -0.04 0.00 0.80 0.00 0.00 33.01 31.20 2aj3 s GLN 192 CO 0.34 0.67 0.04 0.99 -0.50 0.00 0.00 175.29 176.83 2aj3 s THR 193 N -0.83 4.55 -0.18 -0.34 2.01 -1.26 -4.75 115.64 114.84 2aj3 s THR 193 Ca 0.13 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 2aj3 s THR 193 Cb -0.11 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 2aj3 s THR 193 CO 0.02 0.47 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.03 2aj3 s TYR 194 N 0.34 2.90 -0.04 4.92 2.02 -1.26 -4.96 117.35 121.27 2aj3 s TYR 194 Ca 0.01 -0.85 0.03 0.00 -0.37 0.00 0.00 57.07 55.90 2aj3 s TYR 194 Cb -0.13 -1.99 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 2aj3 s TYR 194 CO 0.01 -0.42 -0.13 0.42 -1.57 0.00 0.00 175.55 173.86 2aj3 s ILE 195 N 1.01 1.10 -0.09 2.71 1.01 -1.26 -0.58 121.20 125.10 2aj3 s ILE 195 Ca -0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.03 2aj3 s ILE 195 Cb -0.15 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 2aj3 s ILE 195 CO -0.01 0.33 0.23 0.00 0.00 0.00 0.00 174.94 175.50 2aj3 s ASN 197 N -0.88 5.07 -0.17 0.00 -0.87 0.67 -1.53 114.94 117.23 2aj3 s ASN 197 Ca 0.17 -1.09 -0.05 0.00 -1.57 0.00 0.00 52.86 50.32 2aj3 s ASN 197 Cb -0.13 -1.81 -0.03 0.00 -0.02 0.00 0.00 41.25 39.26 2aj3 s ASN 197 CO 0.07 -0.27 0.01 -0.69 -2.57 0.00 0.00 177.10 173.64 2aj3 s VAL 198 N 1.37 4.29 -0.01 1.60 1.01 -0.01 -1.71 120.40 126.93 2aj3 s VAL 198 Ca -0.02 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.81 2aj3 s VAL 198 Cb -0.19 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 2aj3 s VAL 198 CO 0.01 0.48 -0.20 0.20 0.00 0.00 0.00 175.10 175.59 2aj3 s ASN 199 N 0.37 2.35 -0.32 3.32 0.02 0.17 -0.28 114.94 120.57 2aj3 s ASN 199 Ca -0.01 -0.37 -0.01 0.00 -1.02 0.00 0.00 52.86 51.45 2aj3 s ASN 199 Cb -0.13 -0.26 0.13 0.00 0.02 0.00 0.00 41.25 41.01 2aj3 s ASN 199 CO 0.02 0.24 0.22 -2.28 0.02 0.00 0.00 177.10 175.31 2aj3 s HIS 200 N -0.49 0.23 0.21 2.20 2.46 -0.53 -1.34 115.29 118.02 2aj3 s HIS 200 Ca 0.08 -1.00 -0.10 0.00 0.47 0.00 0.00 55.06 54.51 2aj3 s HIS 200 Cb -0.08 -0.76 0.16 0.00 -0.13 0.00 0.00 32.58 31.77 2aj3 s HIS 200 CO -0.01 -0.86 1.88 0.87 -2.47 0.00 0.00 174.74 174.15 2aj3 h LYS 201 N 7.74 0.99 -1.02 2.88 1.57 -1.81 0.24 116.57 127.17 2aj3 h LYS 201 Ca -0.07 -0.06 0.25 0.00 -1.87 0.00 0.00 60.65 58.91 2aj3 h LYS 201 Cb 1.01 -0.22 -0.09 0.00 0.08 0.00 0.00 32.23 33.02 2aj3 h LYS 201 CO 0.33 0.65 0.66 -1.35 -0.57 0.00 0.00 179.45 179.18 2aj3 h PRO 202 N 1.02 0.37 -0.14 3.15 0.11 -1.92 0.41 132.00 135.00 2aj3 h PRO 202 Ca 0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.36 2aj3 h PRO 202 Cb -0.11 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 30.91 2aj3 h PRO 202 CO -0.06 0.25 0.00 -1.13 -0.21 0.00 0.00 178.00 176.84 2aj3 n SER 203 N -4.58 2.37 -3.41 -2.05 3.41 -1.15 -4.92 113.62 103.28 2aj3 n SER 203 Ca 0.24 -1.68 -0.13 0.00 -0.26 0.00 0.00 58.87 57.04 2aj3 n SER 203 Cb 0.85 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 2aj3 n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2aj3 n ASN 204 N 0.69 -6.35 -4.26 4.04 5.15 0.14 -4.90 115.26 109.78 2aj3 n ASN 204 Ca 0.09 -0.48 -0.31 0.00 -0.60 0.00 0.00 54.58 53.28 2aj3 n ASN 204 Cb 0.36 -3.50 -0.16 0.00 -0.53 0.00 0.00 39.78 35.95 2aj3 n ASN 204 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2aj3 s THR 205 N -2.94 2.00 -0.16 -0.44 2.01 0.67 -4.98 115.64 111.79 2aj3 s THR 205 Ca 0.02 -1.04 -0.01 0.00 0.31 0.00 0.00 61.69 60.97 2aj3 s THR 205 Cb -0.00 -1.68 0.04 0.00 0.01 0.00 0.00 72.50 70.86 2aj3 s THR 205 CO 0.82 0.56 -0.04 -0.54 -0.69 0.00 0.00 174.62 174.73 2aj3 s LYS 206 N -0.22 1.32 0.12 4.92 1.02 -1.26 -1.45 119.74 124.18 2aj3 s LYS 206 Ca -0.02 -0.48 0.06 0.00 0.02 0.00 0.00 55.97 55.56 2aj3 s LYS 206 Cb -0.13 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 2aj3 s LYS 206 CO 0.03 -0.44 -0.15 0.08 -0.92 0.00 0.00 175.35 173.94 2aj3 s VAL 207 N 1.67 1.39 -0.04 3.17 1.01 0.61 -5.01 120.40 123.20 2aj3 s VAL 207 Ca 0.01 -1.65 -0.02 0.00 0.00 0.00 0.00 61.98 60.32 2aj3 s VAL 207 Cb -0.15 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.77 2aj3 s VAL 207 CO -0.08 -0.33 0.07 -1.81 0.00 0.00 0.00 175.10 172.95 2aj3 s ASP 208 N -2.29 0.62 -0.07 3.32 1.01 -1.26 -0.83 116.67 117.16 2aj3 s ASP 208 Ca 0.07 0.11 0.02 0.00 0.71 0.00 0.00 52.55 53.47 2aj3 s ASP 208 Cb -0.06 -0.04 0.02 0.00 1.01 0.00 0.00 42.92 43.84 2aj3 s ASP 208 CO 0.03 -0.20 -0.11 -0.75 0.21 0.00 0.00 175.17 174.35 2aj3 s LYS 209 N 1.72 1.65 -0.17 8.23 2.47 -0.58 -4.97 119.74 128.09 2aj3 s LYS 209 Ca -0.01 -0.38 -0.20 0.00 -1.56 0.00 0.00 55.97 53.82 2aj3 s LYS 209 Cb -0.12 -1.43 -0.03 0.00 -1.46 0.00 0.00 37.83 34.78 2aj3 s LYS 209 CO -0.04 -0.03 0.57 0.21 0.16 0.00 0.00 175.35 176.22 2aj3 s LYS 210 N 0.87 4.25 -0.39 4.03 2.20 -1.26 -0.17 119.74 129.27 2aj3 s LYS 210 Ca -0.11 0.54 -0.14 0.00 -0.36 0.00 0.00 55.97 55.90 2aj3 s LYS 210 Cb -0.15 -3.53 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 2aj3 s LYS 210 CO 0.01 -0.10 0.28 0.08 -0.36 0.00 0.00 175.35 175.27 2aj3 s VAL 211 N 1.44 5.23 0.17 4.02 1.01 0.25 -4.92 120.40 127.60 2aj3 s VAL 211 Ca 0.27 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.78 2aj3 s VAL 211 Cb -0.16 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2aj3 s VAL 211 CO 0.11 -0.23 -0.09 -1.61 0.00 0.00 0.00 175.10 173.28 2aj3 s GLU 212 N 1.68 2.10 0.77 2.72 2.02 -1.26 -4.46 118.70 122.28 2aj3 s GLU 212 Ca 0.05 -1.24 -0.13 0.00 0.02 0.00 0.00 54.97 53.68 2aj3 s GLU 212 Cb -0.19 -2.19 0.06 0.00 0.10 0.00 0.00 34.13 31.92 2aj3 s GLU 212 CO 0.10 0.44 1.14 -2.14 0.02 0.00 0.00 175.26 174.82 2aj3 s PRO 213 N -2.80 2.01 -0.03 0.39 0.02 -1.26 -4.31 135.00 129.01 2aj3 s PRO 213 Ca 0.25 1.49 0.05 0.00 0.02 0.00 0.00 61.00 62.81 2aj3 s PRO 213 Cb -0.09 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.58 2aj3 s PRO 213 CO 0.15 -1.88 -0.20 0.15 -0.33 0.00 0.00 177.00 174.90 2aj3 s LYS 214 N -4.38 1.81 0.00 5.54 1.02 -1.21 -4.97 119.74 117.55 2aj3 s LYS 214 Ca 0.68 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.97 2aj3 s LYS 214 Cb -0.23 -1.64 0.00 0.00 -0.52 0.00 0.00 37.83 35.44 2aj3 s LYS 214 CO 0.50 0.35 0.00 0.45 -0.92 0.00 0.00 175.35 175.74